Structural, spectral and docking studies of a coordination polymer of zinc(II) formed by a pyridine-derived linker
Author:
Marandi Farzin1, Moeini Keyvan1, Alizadeh Fereshteh1, Mardani Zahra2, Quah Ching Kheng3, Loh Wan-Sin3
Affiliation:
1. Chemistry Department , Payame Noor University , 19395-4697 Tehran , I.R. Iran 2. Inorganic Chemistry Department, Faculty of Chemistry , Urmia University , 57561-51818, Urmia , I.R. Iran 3. X-ray Crystallography Unit, School of Physics , Universiti Sains Malaysia , 11800 USM, Penang , Malaysia
Abstract
Abstract
A mixed ligand zinc coordination polymer, {Zn(μ-DPE)(DBM)2}
n
(1) (HDBM: dibenzoylmethane and DPE: (E)-1,2-di(pyridin-4-yl)ethene), was prepared and identified by elemental analysis, FT-IR, 1H NMR spectroscopy and single-crystal X-ray diffraction. In the 1D linear coordination polymer of 1, the zinc atom has a ZnN2O4 environment with octahedral geometry. These complex units are linked by the bridging of the planar N2 donor DPE ligands. In the coordination network of complex 1, in addition to the hydrogen bonds, the network is more stabilized by π–π stacking interactions between pyridine and β-diketone moieties of the ligands. These interactions increase the ability of the compound to interact with biomacromolecules (BRAF kinase, CatB, DNA gyrase, HDAC7, rHA, RNR, TrxR, TS and Top II) as investigated by docking calculations.
Publisher
Walter de Gruyter GmbH
Subject
General Chemistry
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